Physicochemical, Pharmacokinetic and Cytotoxicity of the Compounds Isolated from an Endophyte : In Vitro and In Silico Approaches.

The present study was intended to characterize the secondary metabolites of the endophyte isolated from the plant Schott. And to investigate the cytotoxic and other pharmacological properties of the isolated compounds as part of the drug discovery and development process. Different chromatographic techniques were adopted to isolate the bioactive compounds that were identified by spectroscopic techniques. The cytotoxic properties of the compounds were assessed in the Vero cell line via the trypan blue method. Moreover, physicochemical, pharmacokinetic, bioactivity and toxicity profiles of the compounds were also investigated through in silico approaches. After careful spectral analysis, the isolated compounds were identified as 3,5-dihydroxy-ergosta-7,22-dien-6-one (), 3,5,9-trihydroxy-ergosta-7,22-dien-6-one (), -hydroxybenzaldehyde (), 3-()-7-butyl-6,8-dihydroxy-3-pent-11-enylisochroman-1-one () and beauvericin (). An in vitro study in the Vero cell line revealed that the presence of the compounds reduced the number of cells, as well as the percentage of viable cells, in most cases. An in silico cytotoxic analysis revealed that compounds , and might be explored as cytotoxic agents. Moreover, compounds and were found to be highly mutagenic. The present study suggested that further thorough investigations are necessary to use these molecules as leads for the cytotoxic drug development process.